ブロモアセトンジメチルアセタール

1-Bromo-2,2-dimethoxypropane

HCID 67175

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 126-38-5
標準SMILES: COC(C)(CBr)OC
InChIKey: SGTITUFGCGGICE-UHFFFAOYSA-N
分子式: C5H11BrO2
平均分子量: 183.04 g/mol
単同位体質量: 181.99424

名称と識別子

優先名称: 1-Bromo-2,2-dimethoxypropane
IUPAC: 1-bromo-2,2-dimethoxypropane
現地名: ブロモアセトンジメチルアセタール
英語名: 1-Bromo-2,2-dimethoxypropane
分子式: C5H11BrO2
分子量: 183.04

名称と別名

1-Bromo-2,2-dimethoxypropane126-38-5Propane, 1-bromo-2,2-dimethoxy-EINECS 204-784-7DTXSID70155036RefChem:75035DTXCID9077527204-784-7SGTITUFGCGGICE-UHFFFAOYSA-N1-Bromo-2,2-dimethoxyprpopaneMFCD000002081-bromo-2,2-dimethoxy-propane

名称をさらに表示

1-ブロモ-2,2-ジメトキシプロパンブロモアセトンジメチルアセタール1-BROMO-2,2-DIMETHOXYPROPANONE1-Bromo-2,2-dimethoxypropane 97%1-Bromo-2,2-dimethoxypropane,97%1-Bromo-2,2-dimethoxyprpopane czj

bromo-2,2-dimethoxypropane323582F8T3BROMOACETONE DIMETHYL ACETALbromo-2,2dimethoxypropane1-Bromo-22-dimethoxypropaneSCHEMBL10584411-bromo-2,2-dimethoxy propaneBROMOACETONE DIMETHYL KETAL

データベース識別子

CAS: 126-38-5
PubChem CID: 67175
DTXSID: DTXSID70155036
UNII: 323582F8T3
EC Number: 204-784-7
Nikkaji: J21C

物性

構造計算による物性

XLogP: 1
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 61

物理化学的性質

沸点: 83 · 83-87 °C/80 mmHg (lit.)
比重(密度): 1.355 g/mL · 1.355 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.447(lit.)
闪点: 105 °F · 105 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: liquid
BRN: 2036095 · 2036095
InChI: InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
InChIKey: SGTITUFGCGGICE-UHFFFAOYSA-N
SMILES: C(Br)C(OC)(OC)C

化学的性質

化学的特性CLEAR LIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29110000
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-27-36/37/39
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

説明1-Bromo-2,2-dimethoxypropane can be analyzed by this reverse phase (RP) HPLC method with simple conditions. The mobile phase contains an acetonitrile (MeCN), water, and phosphoric acid.

使用1-Bromo-2,2-dimethoxypropane was used in the synthesis of:coronenedicarbonyl(η5-cyclopentadienyl)(η′-2-methoxyallyl)iron